3H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid,4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-,ethyl ester

CAS

943322-02-9

Catalog Number

ACM943322029

Category

Other Products

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What is the molecular formula of the compound?

The molecular formula of the compound is C16H21BN2O4.

What is the IUPAC name of the compound?

The IUPAC name of the compound is ethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-pyrrolo[2,3-b]pyridine-2-carboxylate.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C16H21BN2O4/c1-6-21-14(20)12-9-10-11(7-8-18-13(10)19-12)17-22-15(2,3)16(4,5)23-17/h7-8H,6,9H2,1-5H3.

What is the InChIKey of the compound?

The InChIKey of the compound is CKFCBRYXMSVNPY-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is B1(OC(C(O1)(C)C)(C)C)C2=C3CC(=NC3=NC=C2)C(=O)OCC.

What is the molecular weight of the compound?

The molecular weight of the compound is 316.2 g/mol.

How many hydrogen bond donor counts does the compound have?

The compound has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does the compound have?

The compound has 6 hydrogen bond acceptor counts.

How many rotatable bond counts does the compound have?

The compound has 4 rotatable bond counts.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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